- InChI
- InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25-26/h26H,2-25H2,1H3
- InChI Key
- GNECQVKDNNGLCG-UHFFFAOYSA-N
- Formula
- C26H52
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC1CCCC1
- Molecular Weight1
- 364.69
- CAS
- 6703-82-8
- Other Names
-
- Heneicosane, 1-cyclopentyl-
- n-Heneicosylcyclopentane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9894 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -17014.20 ± 6.70 | kJ/mol | NIST |
| ΔfG° | 204.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -648.60 ± 6.70 | kJ/mol | NIST |
| ΔfusH° | 57.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.998 | Crippen Calculated Property | |
| McVol | 366.340 | ml/mol | McGowan Calculated Property |
| Pc | 800.69 | kPa | Joback Calculated Property |
| Inp | 2691.00 | NIST | |
| Tboil | 642.16 | K | Relay (1.0) Calculated Property |
| Tc | 825.25 | K | Relay (1.0) Calculated Property |
| Tfus | [45.20; 318.40] | K |
|
| Tfus | 315.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 318.35 ± 0.50 | K | NIST |
| Tfus | 318.40 ± 1.00 | K | NIST |
| Tfus | 45.20 ± 1.50 | K | NIST |
| Vc | 1.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 93.80 | kJ/mol | 517.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.81; 1343.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.12300e+01 | |||
| Coefficient B | 2.60552e+00 | |||
| Coefficient C | -1.51800e-03 | |||
| Coefficient D | 3.37700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 523.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 665.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 792.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 904.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1004.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1091.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1168.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1235.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1293.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1343.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1071138; 0.0001113] | Pa×s | [249.28; 695.20] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.29429e+01 | |||
| Coefficient B | 2.66950e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 249.28 | |||
| Temperature range, max. | 695.20 | |||
| η | 0.1071138 | Pa×s | 249.28 | Calculated Property |
| η | 0.0181420 | Pa×s | 298.82 | Calculated Property |
| η | 0.0050920 | Pa×s | 348.37 | Calculated Property |
| η | 0.0019611 | Pa×s | 397.92 | Calculated Property |
| η | 0.0009330 | Pa×s | 447.47 | Calculated Property |
| η | 0.0005147 | Pa×s | 497.01 | Calculated Property |
| η | 0.0003163 | Pa×s | 546.56 | Calculated Property |
| η | 0.0002108 | Pa×s | 596.11 | Calculated Property |
| η | 0.0001495 | Pa×s | 645.66 | Calculated Property |
| η | 0.0001113 | Pa×s | 695.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, heneicosyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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